SCHEMBL6709729

SCHEMBL6709729

Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 3/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL899438 0.84 MEN1 (0.59) MEN1KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL12310937 0.83 CYP2C9 (0.49) MEN1KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL6705858 0.82 KMT2A (0.49) MEN1KMT2AMAPK1NPSR1CYP2C9
SCHEMBL12263825 0.82 KMT2A (0.62) MEN1KMT2AMAPK1POLBTDP1
SCHEMBL7763901 0.82 KMT2A (0.51) MEN1KMT2AMAPK1ALDH1A1POLB
SCHEMBL6705840 0.81 POLB (0.51) MEN1KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL12691912 0.78 MEN1 (0.48) MEN1KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL12263823 0.78 ATM (0.45) MEN1KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL12899997 0.76 CYP2C9 (0.46) MEN1KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL6708232 0.74 ATM (0.57) MAPK1ALDH1A1CYP2C9CYP2C19POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212177-B2 Antiviral compounds and methods of making and using thereof VERSITECH LIMITED (HK) 2015-12-15 US disclosed
US-9212177-B2 Antiviral compounds and methods of making and using thereof VERSITECH LIMITED (HK) 2015-12-15 US disclosed
EP-2462138-B1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING VERSITECH LTD (CN) 2014-09-24 EP disclosed
US-20110212975-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG 2011-09-01 US disclosed
US-20110212975-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG 2011-09-01 US disclosed
WO-2011015037-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THERE OF CROSS REFERENCE TO RELATED APPLICATIONS THE UNIVERSITY OF HONGKONG (CN) 2011-02-10 WO disclosed
US-20040157262-A1 Conjugates of haptens to beta-lactam derivatives and their use for detecting and/or quantifying haptens in solution and device for implementation thereof KOHL MICHEL (BE) 2004-08-12 US disclosed
US-20030235877-A1 Conjugates of haptens to beta-lactam derivatives and their use for detecting and/or quantifying haptens in solution and device for implementation thereof LA REGION WALLONE (BE) 2003-12-25 US disclosed
US-6436649-B1 COMPETITIVE BINDING WITH ANTI-HAPTEN ANTIBODY IN SOLUTION CONTAINING REPORTER MOLECULE SUBSTRATE; ADDING B-LACTAMASE QUANTITATIVE ANALYSIS USING VISIBLE OR ULTRAVIOLET RADIATION LE REGION WALLONE (BE) 2002-08-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212975-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THEREOF VIP, H1-3, MAVS MEN1 2290/4885KMT2A 1268/4885MAPK1 4057/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.